EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:104569 - 1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea

ChEBI IDCHEBI:104569
ChEBI Name1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea
Stars
DownloadsMolfile
FormulaC24H37F3N4O4
Net Charge0
Average Mass502.578
Monoisotopic Mass502.27669
SMILESCCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC(F)(F)F)C[C@H](C)[C@H](OC)CN(C)C2=O
InChIInChI=1S/C24H37F3N4O4/c1-6-10-28-23(33)29-18-7-8-19-20(12-18)35-15-17(3)31(11-9-24(25,26)27)13-16(2)21(34-5)14-30(4)22(19)32/h7-8,12,16-17,21H,6,9-11,13-15H2,1-5H3,(H2,28,29,33)/t16-,17-,21+/m0/s1
InChIKeyVNTQRTFIXZLISU-XGHQBKJUSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:104569) is a azamacrocycle (CHEBI:52898)
1-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea (CHEBI:104569) is a lactam (CHEBI:24995)
Manual XrefsDatabases
LSM-15933LINCS